4-chloranyl-N-[2-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]pyridine-2-carboxamide

Systemtic Name: 4-chloranyl-N-[2-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]pyridine-2-carboxamide Openeye Name: 4-chloro-N-[2-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]pyridine-2-carboxamide CAS Name: 4-chloro-N-[2-[4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl]-2-pyridinecarboxamide IUPAC Name: 4-chloro-N-[2-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]pyridine-2-carboxamide Traditional Name: 4-chloro-N-[2-keto-2-(4-p-anisylpiperazin-4-ium-1-yl)ethyl]picolinamide Formula: C20H24ClN4O3+ MolecularWeight: 403.88256

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)CNC(=O)C3=NC=CC(=C3)Cl

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)CNC(=O)C3=NC=CC(=C3)Cl

InChI

InChI=1S/C20H23ClN4O3/c1-28-17-4-2-15(3-5-17)14-24-8-10-25(11-9-24)19(26)13-23-20(27)18-12-16(21)6-7-22-18/h2-7,12H,8-11,13-14H2,1H3,(H,23,27)/p+1